iterations/neb0_image07_iter7_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145232586831E+04 0.14523E+04 -0.44242E+04 330 0.697E+02
DAV: 2 0.229140612274E+03 -0.12232E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.361014473749E+03 -0.59016E+03 -0.58675E+03 345 0.114E+02
DAV: 4 -0.432845976595E+03 -0.71832E+02 -0.71564E+02 318 0.512E+01
DAV: 5 -0.434470374162E+03 -0.16244E+01 -0.16217E+01 318 0.793E+00 0.427E+01
DAV: 6 -0.388654440303E+03 0.45816E+02 -0.14709E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385185263354E+03 0.34692E+01 -0.13200E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383753912811E+03 0.14314E+01 -0.25740E+00 336 0.393E+00 0.432E+00
DAV: 9 -0.383204747164E+03 0.54917E+00 -0.70759E-01 336 0.224E+00 0.135E+00
DAV: 10 -0.383140283513E+03 0.64464E-01 -0.53927E-01 345 0.123E+00 0.958E-01
DAV: 11 -0.383106421268E+03 0.33862E-01 -0.11436E-01 327 0.618E-01 0.823E-01
DAV: 12 -0.383093309544E+03 0.13112E-01 -0.16253E-02 336 0.419E-01 0.587E-01
DAV: 13 -0.383069533837E+03 0.23776E-01 -0.51315E-02 309 0.470E-01 0.540E-01
DAV: 14 -0.383068002172E+03 0.15317E-02 -0.90143E-02 363 0.541E-01 0.564E-01
DAV: 15 -0.383063234401E+03 0.47678E-02 -0.22787E-02 309 0.294E-01 0.322E-01
DAV: 16 -0.383067332940E+03 -0.40985E-02 -0.95177E-03 345 0.259E-01 0.242E-01
DAV: 17 -0.383073460303E+03 -0.61274E-02 -0.35319E-03 300 0.187E-01 0.127E-01
DAV: 18 -0.383086775472E+03 -0.13315E-01 -0.57536E-03 300 0.207E-01 0.228E-01
DAV: 19 -0.383094148849E+03 -0.73734E-02 -0.72568E-03 327 0.182E-01 0.118E-01
DAV: 20 -0.383099110095E+03 -0.49612E-02 -0.85962E-04 318 0.744E-02 0.105E-01
DAV: 21 -0.383103085137E+03 -0.39750E-02 -0.23481E-04 345 0.380E-02 0.718E-02
DAV: 22 -0.383110025064E+03 -0.69399E-02 -0.67258E-04 327 0.586E-02 0.340E-02
DAV: 23 -0.383112453803E+03 -0.24287E-02 -0.11819E-04 327 0.265E-02 0.342E-02
DAV: 24 -0.383114079547E+03 -0.16257E-02 -0.89427E-05 291 0.235E-02 0.270E-02
DAV: 25 -0.383115434290E+03 -0.13547E-02 -0.81806E-05 318 0.178E-02 0.784E-03
DAV: 26 -0.383116095208E+03 -0.66092E-03 -0.22089E-05 246 0.983E-03 0.617E-03
DAV: 27 -0.383116565517E+03 -0.47031E-03 -0.17330E-05 237 0.825E-03 0.289E-03
DAV: 28 -0.383116781888E+03 -0.21637E-03 -0.65824E-06 210 0.499E-03 0.180E-03
DAV: 29 -0.383116884156E+03 -0.10227E-03 -0.34027E-06 219 0.380E-03 0.175E-03
DAV: 30 -0.383116937556E+03 -0.53400E-04 -0.21983E-06 201 0.281E-03 0.109E-03
DAV: 31 -0.383116957915E+03 -0.20359E-04 -0.10919E-06 228 0.217E-03 0.150E-03
DAV: 32 -0.383116968763E+03 -0.10848E-04 -0.60277E-07 210 0.141E-03 0.526E-04
DAV: 33 -0.383116972631E+03 -0.38676E-05 -0.21743E-07 228 0.892E-04
1 F= -.38311697E+03 E0= -.38313369E+03 d E =0.501508E-01